3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2,4,5-trimethoxybenzyl)benzamide Formula: C26H28N2O6S MolecularWeight: 496.57532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3)OC)OC

InChI

InChI=1S/C26H28N2O6S/c1-32-23-15-25(34-3)24(33-2)14-21(23)16-27-26(29)19-9-6-10-22(13-19)35(30,31)28-12-11-18-7-4-5-8-20(18)17-28/h4-10,13-15H,11-12,16-17H2,1-3H3,(H,27,29)